2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid

C14H19FN2O2 — CID 62310279

IUPAC2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O2/c1-11(14(18)19)17-7-5-16(6-8-17)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,18,19)
InChIKeyAXRKVUAWZXCSBE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid (PubChem CID 62310279) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
PubChem CID62310279
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O2/c1-11(14(18)19)17-7-5-16(6-8-17)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,18,19)
InChIKeyAXRKVUAWZXCSBE-UHFFFAOYSA-N
XLogP1.42
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanethioamide
CID 63341656
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310090
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596
2-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 62824164
(2S)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8721373
(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8546713
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
(2S)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 9451586
2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
3-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid
CID 82323099
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]butan-1-amine
CID 63340356
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid (CID 62310279) is 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid?
The InChIKey is AXRKVUAWZXCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11(14(18)19)17-7-5-16(6-8-17)10-12-3-2-4-13(15)9-12/h2-4,9,11H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid?
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).